PDB entry 5wrq

View 5wrq on RCSB PDB site
Description: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Class: transferase/transferase inhibitor
Keywords: Inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2016-12-03, released 2017-01-25
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-01-25, with a file datestamp of 2017-01-20.
Experiment type: XRAY
Resolution: 2.65 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (2-351)
      • expression tag (0-1)
      • engineered mutation (102)
    Domains in SCOPe 2.08: d5wrqa1, d5wrqa2, d5wrqa3
  • Chain 'B':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (2-351)
      • expression tag (0-1)
      • engineered mutation (102)
    Domains in SCOPe 2.08: d5wrqb1, d5wrqb2, d5wrqb3
  • Heterogens: 7TX

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5wrqA (A:)
hmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqa
vsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllr
ggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifki
eregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfad
mvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdps
anisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >5wrqA (A:)
hmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqa
vsqgsdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5wrqB (B:)
hmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqa
vsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllr
ggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifki
eregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfad
mvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdps
anisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >5wrqB (B:)
hmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqa
vsqgsdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt